(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide

C22H27N3O3 — CID 97444169

IUPAC(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-28-20-11-7-6-10-18(20)24-22(27)25-13-12-23-21(26)19(25)14-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyDTEZUGSVAYOODE-IBGZPJMESA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide

(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide (PubChem CID 97444169) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
PubChem CID97444169
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-28-20-11-7-6-10-18(20)24-22(27)25-13-12-23-21(26)19(25)14-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyDTEZUGSVAYOODE-IBGZPJMESA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 72938535
(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97445979
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
(3aR,7aR)-N-[2-(2-methylpropoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 100705765
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(2S)-N-[3-(dimethylamino)-2-methylphenyl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826136
2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72933841
(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 97455455
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide (CID 97444169) is (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide is CC(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is DTEZUGSVAYOODE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)15-28-20-11-7-6-10-18(20)24-22(27)25-13-12-23-21(26)19(25)14-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide?
(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97444169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).